Pholedrine - ≥98% , CAS No.370-14-9

CAS: 370-14-9 Cat. No.: P1071089 Número EC: 206-725-0 PubChem CID: 4655

CALIDAD & PUREZA ≥98%

Storage

Room temperature

Especificaciones

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ACTIVATOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(CC1=CC=C(C=C1)O)NC

IUPAC Name

4-[2-(methylamino)propyl]phenol

InChIKey

SBUQZKJEOOQSBV-UHFFFAOYSA-N

INCHI

1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3

Isómeros SMILES

CC(CC1=CC=C(C=C1)O)NC

CAS alternativo

370-14-9,6114-26-7 (sulfate2:1)

PubChem CID

4655

Términos de entrada MeSH

4-hydroxy-N-methylamphetamine;4-hydroxymethamphetamine;p-hydroxymethamphetamine;Pholedrin liquidum;Pholedrin-longo-Isis;pholedrine;pholedrine sulfate (1:1);pholedrine sulfate (2:1);pholedrine, sulfate (1:1), (+-)-isomer;pholedrine, sulfate (2:1), (+-)-iso

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Phenylpropanes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 165.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1